General Information of the Compound
| Compound ID |
CP0474837
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| Compound Name |
(2S)-6-amino-N-[(2S)-6-amino-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide
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| Structure |
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| Formula |
C58H89N19O11
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| Molecular Weight |
1228.472
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| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C58H89N19O11/c59-26-12-10-23-40(73-52(84)41(24-11-13-27-60)72-50(82)39(61)22-14-28-67-57(63)64)51(83)70-33-47(79)69-34-48(80)71-44(31-37-18-6-2-7-19-37)54(86)77-46(35-78)56(88)76-45(32-38-20-8-3-9-21-38)55(87)74-42(25-15-29-68-58(65)66)53(85)75-43(49(62)81)30-36-16-4-1-5-17-36/h1-9,16-21,39-46,78H,10-15,22-35,59-61H2,(H2,62,81)(H,69,79)(H,70,83)(H,71,80)(H,72,82)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,86)(H4,63,64,67)(H4,65,66,68)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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| InChIKey |
QMMFUFPGYOFWRB-QVWIHFFISA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound